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Information card for entry 2011013
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| Coordinates | 2011013.cif |
|---|---|
| Structure factors | 2011013.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4,13-(1,8 octandioxy)-hexahelicen |
|---|---|
| Formula | C34 H30 O2 |
| Calculated formula | C34 H30 O2 |
| SMILES | O1c2cccc3c2ccc2ccc4ccc5ccc6c(OCCCCCCCC1)cccc6c5c4c32 |
| Title of publication | Two strained hexahelicenophanes |
| Authors of publication | Meier, Herbert; Schwertel, Manfred; Schollmeyer, Dieter |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | 684 - 686 |
| a | 18.1447 ± 0.0004 Å |
| b | 12.3799 ± 0.0003 Å |
| c | 10.8228 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2431.12 ± 0.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0398 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for all reflections | 0.1122 |
| Weighted residual factors for all reflections included in the refinement | 0.1112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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